[email protected]
CAS 35958-64-6 3,4,6-tri-O-benzyl-D-glucofuranose molecular structure lightbox
CAS RN: 35958-64-6

3,4,6-tri-O-benzyl-D-glucofuranose

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260130 200mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS35958-64-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

35958-64-6 / (3R,4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-4-phenylmethoxyoxolane-2,3-diol

Standard CAS: 35958-64-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35958-64-6
Multi CAS
No
Molecular Formula
C27H30O6
Molecular Weight
450.500000
Exact Mass
450.204239
InChI
InChI=1S/C27H30O6/c28-24-26(32-18-22-14-8-3-9-15-22)25(33-27(24)29)23(31-17-21-12-6-2-7-13-21)19-30-16-20-10-4-1-5-11-20/h1-15,23-29H,16-19H2/t23-,24-,25-,26-,27?/m1/s1
InChIKey
ZEJKXJXUVQVSEA-OGJKZRMOSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
2
Molar refractivity
123.02
TPSA
77.38

LogP / Solubility

WLOGP
3.45
MLOGP
3.07
XLogP3
3
Consensus LogP
3.17
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us